[gmx-users] Install Gromacs from Debian/Ubuntu repository vs build from source

[Justin Lemkul]

On Wed, Dec 19, 2018 at 6:58 PM Zhang Shenqiu <Shenqiu.Zhang at outlook.com>
wrote:

> Dear Everyone,
>
> I am a beginner to Gromacs, and found Gromacs can be installed with
> apt-get install gromacs on Debian/Ubuntu. But I hesitate to use it because
> this option is not listed or mentioned in the installation guide.
> http://manual.gromacs.org/documentation/2018/install-guide/index.html
>
> I wonder if I am at a disadvantage of using apt-get install, especially
> regarding the CUDA functions. I have searched "The gromacs.org_gmx-users
> Archives" from December 2018 to September 2016, and couldn't find any
> discussion on it.
>
>
Packages in software repositories are compiled generically and therefore
will not be optimized for every system. If you want good performance or to
use GPU, install from source.

-Justin

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Justin A. Lemkul, Ph.D.

Assistant Professor

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